element(s):
['Ni', 'Pt']
AFLOW prototype label:
AB_tP2_123_a_d
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7699', '1.2938373']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.7699, 0, 0], [0, 2.7699, 0], [0, 0, 3.5838]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:44:32      -10.457026         1.431066
BFGS:    1 15:44:32      -10.525387         0.995848
BFGS:    2 15:44:32      -10.579577         0.215730
BFGS:    3 15:44:32      -10.580819         0.064061
BFGS:    4 15:44:32      -10.580933         0.066957
BFGS:    5 15:44:33      -10.582704         0.054816
BFGS:    6 15:44:33      -10.582843         0.019666
BFGS:    7 15:44:33      -10.582864         0.000051
BFGS:    8 15:44:33      -10.582864         0.000002
BFGS:    9 15:44:33      -10.582864         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.3918331646286144e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Pt']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.6607581822834807, -2.6690726545073114e-35, 1.851355016038701e-35], [-3.0002750050936033e-35, 2.660758182283481, 2.0320854573819374e-18], [-2.1990392140212123e-35, 2.656273832946293e-18, 3.561777482660083]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.31316401e-11 -4.31316401e-11 -5.39183316e-11  4.19021257e-27
 -1.62576692e-34  9.02481933e-51]
energy per atom =  -5.291431906206259
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 
ERROR(@kim_property_modify): input value "CuAu" doesn't meet the format specification. An integer equal to or greater than 1 or integer indices range of "start:stop".
No parameter sets in this group successfully added a property instance. Skipping this group.